Basic information
- CAS
81769-56-4- Standard SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cnc[nH]1- InChIKey
ZJGFRIPXEMYHFJ-UHFFFAOYSA-N- Molecular formula
- C11H3F17N2
- Average molar mass
- 486.13 g/mol
- Monoisotopic mass
- 486.0024769
Names & identifiers
- Preferred name
- Imidazole, 4-heptadecafluorooctyl-
- IUPAC
- 5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-1H-imidazole
- English name
- Imidazole, 4-heptadecafluorooctyl-
- Molecular formula
- C11H3F17N2
- Molecular weight
- 486.13
Names & synonyms
5-(Heptadecafluorooctyl)-1H-imidazole81769-56-4Imidazole, 4-heptadecafluorooctyl-SCHEMBL9316034DTXSID90896015ZJGFRIPXEMYHFJ-UHFFFAOYSA-NAKOS024420793NS00112131NS001123604-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUORO-OCTYL)-1H-IMIDAZOLE4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)-1H-imidazole #1H-Imidazole, 5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-
Database identifiers
- CAS
81769-56-4- PubChem CID
- 575982
- DTXSID
DTXSID90896015- EC Number
- 118-679-8
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 636
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- Melting point
- 177 · 177-178 °C(Solv: methanol (67-56-1))
- Boiling point
- 263.4 · 263.4±40.0 °C(Predicted)
- Density
- 1.695 · 1.695±0.06 g/cm3(Predicted)
- pka
- 10.91 · 10.91±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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